2-Butanone
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- CAS Registry Number: 78-93-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Butan-2-one; Butanone; Ethyl methyl ketone; Ketone, methyl ethyl; Methyl ethyl ketone; MEK; C2H5COCH3; Acetone, methyl-; Aethylmethylketon; 3-Butanone; Butanone 2; Ethyl methyl cetone; Ethylmethylketon; Ketone, ethyl methyl; Meetco; Methyl acetone; Metiletilchetone; Metyloetyloketon; Rcra waste number U159; UN 1193; 2-Oxobutane; 2-Butanal; 2-butanone (MEK; methyl ethyl ketone); 2-butanone (MEK)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -57.02 ± 0.20 | kcal/mol | Cm | Chao and Zwolinski, 1976 | ALS |
ΔfH°gas | -57.05 ± 0.23 | kcal/mol | Eqk | Buckley and Herington, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -56.89 kcal/mol; ALS |
ΔfH°gas | -56.90 | kcal/mol | Ccb | Sinke and Oetting, 1964 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.63 | 100. | Chao J., 1986 | p=1 bar. Recommended values agree with results of statistical calculations [ Sinke G.C., 1964, Chao J., 1976] within 0.2-1.8 J/mol*K. S(T) values calculated by [ Nickerson J.K., 1961] are different from selected ones by 4-5 J/mol*K.; GT |
16.49 | 150. | ||
19.17 | 200. | ||
22.97 | 273.15 | ||
24.302 ± 0.033 | 298.15 | ||
24.400 | 300. | ||
29.725 | 400. | ||
34.668 | 500. | ||
38.994 | 600. | ||
42.727 | 700. | ||
45.949 | 800. | ||
48.736 | 900. | ||
51.145 | 1000. | ||
53.224 | 1100. | ||
55.022 | 1200. | ||
56.573 | 1300. | ||
57.913 | 1400. | ||
59.075 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.110 ± 0.055 | 347.15 | von Geiseler G., 1973 | Experimental data [ Vilcu R., 1975] differ appreciably from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Low accuracy is also expected for experimental value of Cp(410 K)=123.85 J/mol*K [ Bennewitz K., 1938]. Please also see Nickerson J.K., 1961.; GT |
27.641 ± 0.041 | 358.79 | ||
28.370 ± 0.043 | 371.90 | ||
28.449 ± 0.057 | 372.15 | ||
29.099 ± 0.043 | 385.60 | ||
29.730 ± 0.060 | 397.15 | ||
29.780 ± 0.045 | 399.55 | ||
30.349 ± 0.045 | 410.70 | ||
31.479 ± 0.062 | 432.15 | ||
33.131 ± 0.067 | 467.15 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -65.31 ± 0.29 | kcal/mol | Ccb | Sinke and Oetting, 1964 | ALS |
ΔfH°liquid | -66.68 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -584.17 | kcal/mol | Ccb | Sinke and Oetting, 1964 | Corresponding ΔfHºliquid = -65.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -582.80 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; Corresponding ΔfHºliquid = -66.66 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -582.28 ± 0.37 | kcal/mol | Ccb | Crog and Hunt, 1942 | Corresponding ΔfHºliquid = -67.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 57.12 | cal/mol*K | N/A | Andon, Counsell, et al., 1968 | DH |
S°liquid | 57.079 | cal/mol*K | N/A | Sinke and Oetting, 1964 | DH |
S°liquid | 57.70 | cal/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 53.47 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.0 | 298.15 | Malhotra and Woolf, 1992 | T = 278 to 338 K. p = 0.1 MPa.; DH |
38.77 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
37.86 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
37.86 | 298.15 | Costas and Patterson, 1985, 2 | DH |
37.741 | 298.15 | Grolier and Benson, 1984 | DH |
37.86 | 298.1 | Roux, Perron, et al., 1978 | T = 277 to 313 K.; DH |
38.05 | 298.15 | Grolier, Benson, et al., 1975 | DH |
37.93 | 298.15 | Andon, Counsell, et al., 1968 | T = 10 to 320 K.; DH |
37.76 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
37.980 | 298.15 | Sinke and Oetting, 1964 | T = 13 to 308 K.; DH |
37.861 | 298.15 | Parks, Kennedy, et al., 1956 | T = 80 to 300 K.; DH |
38.41 | 297.0 | Kolosovskii and Udovenko, 1934 | DH |
38.41 | 297.0 | de Kolossowsky and Udowenko, 1933 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 353. ± 1. | K | AVG | N/A | Average of 88 out of 89 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 186.4 ± 0.5 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 186.5 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 186.47 | K | N/A | Andon, Counsell, et al., 1968, 2 | Uncertainty assigned by TRC = 0.04 K; TRC |
Ttriple | 186.4 | K | N/A | Sinke and Oetting, 1964, 2 | Uncertainty assigned by TRC = 0.06 K; measured for the sample, 1/f = 1.00; TRC |
Ttriple | 186.48 | K | N/A | Sinke and Oetting, 1964, 2 | Uncertainty assigned by TRC = 0.03 K; measured for the sample, 1/f = 1.00; TRC |
Ttriple | 186.1 | K | N/A | Parks, Kennedy, et al., 1956, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 535. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 41. ± 2. | atm | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.74 | mol/l | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.21 mol/l; TRC |
ρc | 3.49 | mol/l | N/A | Rosenbaum, 1951 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.2 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.48 | 352.8 | N/A | Majer and Svoboda, 1985 | |
8.27 | 309. | A | Stephenson and Malanowski, 1987 | Based on data from 294. to 342. K.; AC |
7.77 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 403. K.; AC |
7.55 | 412. | A | Stephenson and Malanowski, 1987 | Based on data from 397. to 479. K.; AC |
7.43 | 488. | A | Stephenson and Malanowski, 1987 | Based on data from 473. to 537. K.; AC |
8.10 | 330. | A,EB,GS | Stephenson and Malanowski, 1987 | Based on data from 315. to 363. K. See also Ambrose, Ellender, et al., 1975 and Collerson, Counsell, et al., 1965.; AC |
8.51 | 273. | N/A | Di Cave, Chianese, et al., 1978 | Based on data from 258. to 362. K.; AC |
8.08 | 315. | C | Geiseler, Quitzsch, et al., 1973 | AC |
8.08 ± 0.02 | 314. | C | Nickerson, Kobe, et al., 1961 | AC |
7.72 ± 0.02 | 338. | C | Nickerson, Kobe, et al., 1961 | AC |
7.48 ± 0.02 | 352. | C | Nickerson, Kobe, et al., 1961 | AC |
7.29 ± 0.02 | 363. | C | Nickerson, Kobe, et al., 1961 | AC |
7.17 ± 0.02 | 370. | C | Nickerson, Kobe, et al., 1961 | AC |
8.10 | 329. | N/A | Stull, 1947 | Based on data from 314. to 370. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 371. | 12.40 | 0.2925 | 536.8 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
314.6 to 370.6 | 3.9837 | 1150.207 | -63.904 | Nickerson, Kobe, et al., 1961 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.004 | 186.47 | Andon, Counsell, et al., 1968 | DH |
2.0169 | 186.48 | Sinke and Oetting, 1964 | DH |
2.02 | 186.5 | Acree, 1991 | AC |
2.028 | 186.1 | Parks, Kennedy, et al., 1956 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.75 | 186.47 | Andon, Counsell, et al., 1968 | DH |
10.82 | 186.48 | Sinke and Oetting, 1964 | DH |
10.90 | 186.1 | Parks, Kennedy, et al., 1956 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
20. | 5000. | L | N/A | |
20. | 5000. | M | N/A | The data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong. |
7.7 | X | N/A | Value given here as cited in missing citation. | |
6.8 | -5200. | X | N/A | |
4.1 to 7.7 | X | Howe, Mullins, et al., 1987 | Value given here as quoted by missing citation. | |
7.1 | 5800. | X | N/A | |
18. | 5700. | M | N/A | |
10. | M | N/A | Value at T = 303. K. | |
18. | M | N/A | ||
17. | X | N/A | Value given here as quoted by missing citation. | |
19. | M | N/A | ||
21. | M | Buttery, Ling, et al., 1969 | ||
7.1 | R | N/A |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PMS-1000 | 90. | 549. | Arutyunov, Kudryashov, et al., 2004 | N2, Chromaton N-AW-DMCS; Column length: 2. m |
Capillary | DB-1 | 313. | 575.92 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 323. | 574.45 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 333. | 572.75 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 343. | 572.34 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 353. | 571.45 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 363. | 572.61 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 373. | 572.88 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 383. | 573.87 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 393. | 575.19 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 403. | 576.69 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 413. | 578.90 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 423. | 581.30 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 313. | 603.27 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 323. | 602.14 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 333. | 601.20 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 343. | 599.13 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 353. | 596.14 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 363. | 598.30 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 373. | 601.92 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 383. | 602.60 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 393. | 603.82 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 403. | 605.54 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Packed | OV-1 | 130. | 597. | Gurevich and Roshchina, 2003 | He or N2, Gas-Chrom Q |
Capillary | DB-1 | 50. | 578.66 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-1 | 75. | 578.89 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-1 | 100. | 570.79 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-1 | 125. | 538.30 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 50. | 607.25 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 75. | 598.20 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 100. | 609.38 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 125. | 548.59 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | HP-1 | 110. | 575.77 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 20. | 575.3 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 30. | 575.0 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 40. | 574.9 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 50. | 574.71 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 60. | 574.8 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 70. | 574.97 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 90. | 574.76 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 110. | 576. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 50. | 575. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 70. | 575. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 90. | 575. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | SE-30 | 100. | 585. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 110. | 587. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 80. | 582. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 90. | 583. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Packed | Porapack Q | 200. | 570. | Gawdzik and Matynia, 1994 | H2; Column length: 1. m |
Packed | C78, Branched paraffin | 130. | 537.5 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | SE-54 | 110. | 597.8 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 130. | 598.0 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 150. | 599.6 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | PoraPLOT Q | 200. | 580. | de Zeeuw, de Nijs, et al., 1988 | H2; Column length: 25. m; Column diameter: 0.53 mm |
Capillary | PoraPLOT Q | 200. | 581. | de Zeeuw, de Nijs, et al., 1988 | H2; Column length: 25. m; Column diameter: 0.53 mm |
Packed | Squalane | 80. | 538. | Fernández-Sánchez, García-Domínguez, et al., 1987 | H2 |
Capillary | Apiezon L + KF | 60. | 591. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Packed | SE-30 | 150. | 580. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | Apolane | 100. | 541. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Apolane | 200. | 542. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 100. | 533. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 125. | 534. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 200. | 544. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | SE-30 | 100. | 579. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Porapack Q | 200. | 556. | Goebel, 1982 | N2 |
Packed | Triacontane | 80. | 543. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 557. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 100. | 552.3 | Gröbler and Bálizs, 1979 | Column length: 1. m |
Packed | SE-30 | 150. | 574. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
Packed | Apiezon L | 120. | 552. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 553. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 130. | 551. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | SE-30 | 150. | 569. | Haken, Ho, et al., 1975 | Column length: 3.7 m |
Packed | Squalane | 50. | 533. | Mira and Sanchez, 1970 | Chromosorb G |
Packed | Apiezon L | 100. | 551. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 150. | 554. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | DC-200 | 120. | 590. | Reymond, Mueggler-Chavan, et al., 1966 | Celite; Column length: 4. m |
Packed | SE-30 | 80. | 575. | Viani, Müggler-Chavan, et al., 1965 | He, Chromosorb P; Column length: 6. m |
Packed | Apiezon L | 130. | 551. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 547. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 130. | 548. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 549. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 554. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | SE-54 | 602. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Capillary | OV-101 | 543. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 543. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 582.7 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 40. | 917.39 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 50. | 922.33 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 60. | 925.59 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 70. | 928.27 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 80. | 931.34 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 90. | 935.77 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 100. | 940.31 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 110. | 943.44 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 120. | 946.71 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 130. | 949.95 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 75. | 937.60 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-Wax | 100. | 938.60 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-Wax | 125. | 947.76 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | HP-Innowax | 110. | 932.3 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 50. | 919.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 70. | 923.7 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 90. | 927.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | Supelcowax-10 | 60. | 919. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | Carbowax 20M | 75. | 930. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 905. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 881. | Shimoda and Shibamoto, 1990 | He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C |
Capillary | DB-Wax | 900. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 900. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 893. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Packed | PEG-20M | 908. | Galt and MacLeod, 1984 | N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PEG-20M | 891. | Slizhov and Gavrilenko, 2001 | He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified |
Capillary | Supelcowax-10 | 923.3 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 622. | Bylaite and Meyer, 2006 | 30. m/0.25 mm/1. μm, 50. C @ 1. min, 10. K/min, 290. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 600. | Elmore, Cooper, et al., 2005 | 0. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | HP-5 | 601. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | HP-5 | 605. | Solina, Baumgartner, et al., 2005 | 25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C |
Capillary | CP-Sil 8CB-MS | 604. | Hierro, de la Hoz, et al., 2004 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | HP-5 | 597. | Siegmund and Murkovic, 2004 | 30. m/0.25 mm/0.1 μm, -30. C @ 1. min, 10. K/min, 250. C @ 5. min |
Capillary | CP-Sil 8CB-MS | 602. | Bruna, Hierro, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | Petrocol DH | 581.6 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | HP-5 | 596. | Isidorov, Vinogorova, et al., 2003 | 25. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C |
Capillary | CP Sil 5 CB | 560. | Pino, Almora, et al., 2003 | 60. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | DB-5 | 594.7 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | CP Sil 8 CB | 605. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | CP Sil 8 CB | 605. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | CP Sil 8 CB | 606. | Oruna-Concha, Ames, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 8. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 604. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 604. | Bruna, Hierro, et al., 2001 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | SPB-1 | 569. | Larráyoz, Addis, et al., 2001 | 30. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min |
Capillary | CP Sil 8 CB | 602. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | SPB-5 | 600. | Verdier-Metz., Coulon, et al., 1998 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 200. C @ 2. min |
Capillary | DB-5 | 603. | Madruga and Mottram, 1998 | 30. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-1 | 575. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Capillary | DB-1 | 577. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | OV-101 | 585. | Misharina, Golovnya, et al., 1992 | 50. m/0.31 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 572. | Zhang and Ho, 1991 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Capillary | DB-5 | 579. | Guichard and Souty, 1988 | H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; Tend: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 570. | Place, Imhof, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) |
Capillary | HP-5 | 601. | Engel, Baty, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) |
Capillary | CP Sil 8 CB | 611. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Packed | SE-30 | 576. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 897. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | Supelcowax-10 | 903. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | DB-Wax | 905. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | DB-Wax | 926. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | Carbowax | 912.7 | Censullo, Jones, et al., 2003 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min |
Capillary | CP-Wax 52CB | 885. | Liu, Yang, et al., 2001 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
Capillary | DB-Wax | 915. | Beauchene, Grua-Priol, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 3. K/min, 160. C @ 5. min; Tstart: 30. C |
Capillary | DB-Wax | 894. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Capillary | FFAP | 908. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Capillary | DB-Wax | 888. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 875. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 905. | Iwaoka, Hagi, et al., 1994 | He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 900. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | CP-WAX 57CB | 893. | Baltes and Mevissen, 1988 | He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C |
Packed | Carbowax 20M | 882. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 905. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
Capillary | Supelcowax-10 | 901. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 907. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 905. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 908. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | CP-Wax 52CB | 903. | Verzera, Ziino, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | DB-Wax | 904. | Radovic, Careri, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | FFAP | 882. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane | 105. | 577. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 576. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 577. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Methyl Silicone | 100. | 575. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 580. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 577. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 576. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | DB-1 | 60. | 578. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Capillary | OV-1 | 60. | 575. | Amboni, Junkes, et al., 2002 | |
Packed | Synachrom | 150. | 555. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 559. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | DC-400 | 150. | 560. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 573. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | HP-5 MS | 602. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | VF-5 MS | 592. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 592. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | OV-101 | 578. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | OV-101 | 578. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | 5 % Phenyl methyl siloxane | 600. | Ramirez R. and Cava R., 2007 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | SPB-5 | 598. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | SPB-5 | 598. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | HP-5 | 591. | Isidorov, Purzynska, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | HP-5 | 601.8 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | MDN-5 | 589. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | 5 % Phenyl methyl siloxane | 597. | Ramírez, Estévez, et al., 2004 | 0. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | DB-5 | 600. | Joffraud, Leroi, et al., 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | HP-5 | 600. | García, Martín, et al., 2000 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | BP-1 | 571. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-101 | 569. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Methyl Silicone | 570.06 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | SE-54 | 604. | Ding, Deng, et al., 1998 | 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
Capillary | DB-1 | 575. | Robacker and Bartelt, 1997 | 30. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; Tend: 200. C |
Capillary | SE-54 | 613. | Bellesia, Pinetti, et al., 1996 | 25. m/0.2 mm/0.5 μm, He, 35. C @ 2. min, 5. K/min; Tend: 250. C |
Capillary | HP-5 | 603. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | DB-1 | 564. | Yu and Ho, 1995 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 576. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Capillary | DB-5 | 592. | Macku and Shibamoto, 1991 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | DB-1 | 570. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | OV-101 | 572. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Capillary | SF96+Igepal | 575. | Lorenz, Stern, et al., 1983 | 45. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C |
Capillary | SF96+Igepal | 577. | Lorenz, Stern, et al., 1983 | 45. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C |
Capillary | SE-30 | 580. | Alves and Jennings, 1979 | Helium, 2. K/min; Tstart: 70. C; Tend: 170. C |
Capillary | SF-96 | 580. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 622. | Fang, Pu, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C |
Capillary | HP-5 MS | 602. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 583. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | HP-5 | 603. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | Squalane | 569. | Chen, 2008 | Program: not specified |
Capillary | HP-5 | 597. | Ventanas, Estevez, et al., 2008 | 50. m/0.32 mm/1.05 μm, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) |
Capillary | Methyl Silicone | 551. | Chen and Feng, 2007 | Program: not specified |
Capillary | DB-5 MS | 600. | Liu, Xu, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
Capillary | BPX-5 | 600. | van Ruth, Floris, et al., 2006 | 60. m/0.32 mm/1. μm, He; Program: 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C |
Capillary | Methyl Silicone | 577. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | BPX-5 | 604. | Duflos, Moine, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) |
Capillary | HP-5 | 590. | Thierry, Maillard, et al., 2005 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | HP-5 | 598. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 598. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | HP-1 | 575. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | BPX-5 | 606. | Machiels, Istasse, et al., 2004 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | SE-30 | 579. | Vinogradov, 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 575. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | RTX-5 MS | 601. | Machiels and Istasse, 2003 | 60. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) |
Capillary | DB-5MS | 590. | Young, Lane, et al., 2003 | 30. m/0.25 mm/1. μm; Program: 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C |
Capillary | Methyl phenyl siloxane (not specified) | 596. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | Methyl Silicone | 551. | N/A | Program: not specified |
Capillary | CP Sil 8 CB | 612. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | BPX-5 | 582. | van Ruth, Grossmann, et al., 2001 | 60. m/0.32 mm/1. μm, He; Program: -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C |
Capillary | Polydimethyl siloxane | 591. | Spanier, Shahidi, et al., 2001 | Program: not specified |
Capillary | CP-Sil5 CB MS | 578. | Tirillini, Verdelli, et al., 2000 | 50. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min) |
Capillary | DB-5 | 589. | Young and Baumeister, 1999 | 30. m/0.53 mm/1. μm; Program: -40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min) |
Capillary | SE-54 | 600. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | SE-54 | 604. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | SPB-1 | 572. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 578. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Polydimethyl siloxanes | 578. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Methyl Silicone | 578. | Misharina, 1995 | Program: not specified |
Capillary | DB-1 | 570. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 570. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | SPB-1 | 572. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SPB-1 | 579. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | DB-1 | 559. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 560. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | CP Sil 8 CB | 598. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
Capillary | methyl silicone oil with 5% Igepal | 575. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | methyl silicone oil with 5% Igepal | 577. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | DB-1 | 567. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | DB-1 | 568. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | SE-30 | 552. | P'yanova, Zvereva, et al., 1987 | Column length: 25. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | OV-101 | 579. | Shibamoto, 1987 | Program: not specified |
Capillary | SF96+Igepal | 580. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 579. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 579. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 575. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 924. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-FFAP | 914. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | HP-Innowax | 908. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min |
Capillary | ZB-Wax | 918. | Marin, Pozrl, et al., 2008 | 60. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min |
Capillary | CP-Wax 52CB | 893. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 906. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 906. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 906. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 918. | Qian and Wang, 2005 | 60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min |
Capillary | DB-Wax | 945. | Rizzolo, Cambiaghi, et al., 2005 | 60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C |
Capillary | Supelcowax-10 | 920. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | TC-Wax | 907. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
Capillary | DB-Wax | 899. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 901. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | HP-FFAP | 914. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | FFAP | 888. | Lecanu, Ducruet, et al., 2002 | 30. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; Tend: 240. C |
Capillary | HP-Wax | 866. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | TC-Wax | 901. | Suhardi, Suzuki, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min |
Capillary | HP-Wax | 866. | Maeztu, Sanz, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 866. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | Supelcowax-10 | 906. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 912. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 890. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | DB-Wax | 923. | Umano, Nakahara, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 911. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 953. | Molleken U., Sinnwell V., et al., 1998 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | DB-Wax | 912. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 888. | Kawakami, Kobayashi, et al., 1993 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Carbowax 20M | 888. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 889. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 903. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-Innowax | 910. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 894. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | CP-Wax 52 CB | 906. | Povolo, Cabassi, et al., 2011 | Program: not specified |
Capillary | HP-Innowax | 909. | Xiao, Dai, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) |
Capillary | Supelcowax 10 | 882. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | Supelcowax-10 | 901. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 907. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | DB-Wax | 909. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C |
Capillary | DB-Wax | 908. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
Capillary | HP-Innowax | 894. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
Capillary | HP-Innowax | 875. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax-10 | 881. | Kourkoutas, Bosnea, et al., 2006 | 60. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) |
Capillary | Innowax | 920. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | DB-Wax | 904. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | Carbowax 20M | 908. | Vinogradov, 2004 | Program: not specified |
Capillary | CP-Wax 52CB | 908. | Muresan, Eillebrecht, et al., 2000 | 50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) |
Capillary | Carbowax 20M | 908. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 930. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 908. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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